SCHEMBL28893

SCHEMBL28893

OCCCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
FAAH O00519 1/20 0.39
GBA1 P04062 3/20 0.39
GNAO1 P09471 3/20 0.38
SLC6A4 P31645 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
GNAI3 P08754 2/20 0.37
GNAI1 P63096 2/20 0.37
NAMPT P43490 1/20 0.36
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
GABRA1 P14867 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL146163 0.98 ITGB3 (0.41) ITGB3ITGA2BHRH3FAAHGBA1
Bromide SCHEMBL11261498 0.98 ITGB3 (0.41) ITGB3ITGA2BHRH3FAAHGBA1
SCHEMBL2544949 0.93 ITGB3 (0.41) ITGB3ITGA2BHRH3FAAHGBA1
SCHEMBL1838111 0.91 ITGB3 (0.40) ITGB3ITGA2BHRH3FAAHGBA1
SCHEMBL11261846 0.91 ITGB3 (0.40) ITGB3ITGA2BHRH3FAAHGBA1
Hydrochloric Acid SCHEMBL1844095 0.91 ITGB3 (0.40) ITGB3ITGA2BHRH3FAAHGBA1
Hydrochloric Acid SCHEMBL7419436 0.89 GNAO1 (0.42) ITGB3ITGA2BHRH3FAAHGBA1
Hydrochloric Acid SCHEMBL31752969 0.89 GNAO1 (0.42) ITGB3ITGA2BHRH3FAAHGBA1
Acetic Acid SCHEMBL7445844 0.88 ITGB3 (0.46) ITGB3ITGA2BFAAHGNAO1TPSAB1
SCHEMBL1431005 0.86

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 756 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2769721-A2 Process for the preparation of substituted pyrimidine derivatives Janssen Pharmaceutica N.V. (BE) 2014-08-27 EP claimed
EP-1827434-B1 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER AMGEN INC (US) 2014-01-15 EP claimed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US claimed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
JP-2011526910-A 2011-10-20 JP claimed
CN-102137672-A Process for the preparation of substituted pyrimidine derivatives JANSSEN PHARMACEUTICA NV 2011-07-27 CN claimed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US claimed
EP-2310012-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2011-04-20 EP claimed
US-7652009-B2 Substituted heterocycles and methods of use AMGEM INC. (US) 2010-01-26 US claimed
WO-2010002774-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 WO claimed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO claimed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO claimed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 WO claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP claimed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET ITGB3 1246/4885ITGA2B 1908/4885HRH3 340/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET ITGB3 1269/4885ITGA2B 1738/4885HRH3 331/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.